4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-fluorobenzamide

C15H11BrFNO5S — CID 71941167

IUPAC4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-fluorobenzamide
SMILESO=C(NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(Br)cc1F
InChIInChI=1S/C15H11BrFNO5S/c16-9-1-3-11(12(17)7-9)15(19)18-24(20,21)10-2-4-13-14(8-10)23-6-5-22-13/h1-4,7-8H,5-6H2,(H,18,19)
InChIKeyXQOFDXOYDNPNOA-UHFFFAOYSA-N
MW416.22 g/mol
LogP2.48
Rot. Bonds3

About 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-fluorobenzamide

4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-fluorobenzamide (PubChem CID 71941167) has the molecular formula C15H11BrFNO5S and a molecular weight of 416.22 g/mol. Its IUPAC name is 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-fluorobenzamide
PubChem CID71941167
Molecular FormulaC15H11BrFNO5S
Molecular Weight416.22 g/mol
Exact Mass414.95
IUPAC Name4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-fluorobenzamide
SMILESO=C(NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(Br)cc1F
InChIInChI=1S/C15H11BrFNO5S/c16-9-1-3-11(12(17)7-9)15(19)18-24(20,21)10-2-4-13-14(8-10)23-6-5-22-13/h1-4,7-8H,5-6H2,(H,18,19)
InChIKeyXQOFDXOYDNPNOA-UHFFFAOYSA-N
XLogP2.48
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(4-bromo-2-fluorobenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 51275432
N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 8500598
N-(1,3-benzodioxol-5-ylsulfonyl)-4-chloro-2-methylbenzamide
CID 10020985
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)benzamide
CID 75403568
N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(2-fluorophenyl)prop-2-enamide
CID 91942392
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(4-fluorophenyl)prop-2-enamide
CID 75363379
N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 25033229
3-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzamide
CID 71892401
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-fluorobenzohydrazide
CID 8523930
N-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 167929542
N-[3-[2-(4-bromobenzoyl)hydrazinyl]-3-oxopropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 24640863
N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-fluorophenyl]acetamide
CID 55558783

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-fluorobenzamide (CID 71941167) is 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-fluorobenzamide is O=C(NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-fluorobenzamide?
The InChIKey is XQOFDXOYDNPNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO5S/c16-9-1-3-11(12(17)7-9)15(19)18-24(20,21)10-2-4-13-14(8-10)23-6-5-22-13/h1-4,7-8H,5-6H2,(H,18,19).
What are the key properties of 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-fluorobenzamide?
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-fluorobenzamide has a molecular weight of 416.22 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-fluorobenzamide is sourced from PubChem (CID 71941167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).